SCHEMBL7247673

SCHEMBL7247673

C=C(c1ccc(N(C)C)cc1)c1ccc(OC)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.61
PDE4B Q07343 7/20 0.61
PDE4C Q08493 7/20 0.61
PDE4D Q08499 7/20 0.61
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9822983 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7254762 0.82 ALDH1A1 (0.76) LMNAALDH1A1HTTL3MBTL1MEN1
Dimethylamine SCHEMBL8501317 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL10208072 0.78 ALDH1A1 (0.55) LMNAALDH1A1HTTL3MBTL1MEN1
SCHEMBL12677583 0.78 TUBB1 (0.69) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4823462 0.78 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8525988 0.77 GAA (0.47) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12679042 0.76 MEN1 (0.83) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL441802 0.76 MEN1 (0.83) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL4819788 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO disclosed